Information card for entry 2210705

Structure parameters

• Chemical name: Tetraethylammonium dichloro[N,N'-(4,5-dichloro-o-phenylene)bis(pyridine-2- carboxamidato)]chromiun(III)
• Formula: C26 H30 Cl4 Cr N5 O2
• Calculated formula: C26 H30 Cl4 Cr N5 O2
• SMILES: [Cr]123(Cl)(Cl)[n]4ccccc4C(=O)N1c1cc(Cl)c(Cl)cc1N2C(=O)c1[n]3cccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium dichloro[<i>N</i>,<i>N</i>'-(4,5-dichloro-1,2-phenylene)bis(pyridine-2-carboxamidato)]chromate(III)
• Authors of publication: Choi, Yun Wee; Kim, Shin Han; Lee, Do Nam; Kim, Cheal; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2715 - m2716
• a: 8.061 ± 0.005 Å
• b: 22.874 ± 0.014 Å
• c: 15.653 ± 0.009 Å
• α: 90°
• β: 97.35 ± 0.012°
• γ: 90°
• Cell volume: 2862 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes